| 研究課題/領域番号 |
21K09963
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| 研究種目 |
基盤研究(C)
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| 配分区分 | 基金 |
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| 応募区分 | 一般 |
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| 審査区分 |
小区分57040:口腔再生医学および歯科医用工学関連
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| 研究機関 | 早稲田大学 |
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研究代表者 |
国吉 ニルソン 早稲田大学, 理工学術院, 教授 (30254577)
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| 研究分担者 |
ハラ エミリオ・サトシ 岡山大学, 医歯薬学域, 研究准教授 (40779443)
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| 研究期間 (年度) |
2021-04-01 – 2024-03-31
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| 研究課題ステータス |
交付 (2022年度)
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| 配分額 *注記 |
3,900千円 (直接経費: 3,000千円、間接経費: 900千円)
2023年度: 910千円 (直接経費: 700千円、間接経費: 210千円)
2022年度: 1,560千円 (直接経費: 1,200千円、間接経費: 360千円)
2021年度: 1,430千円 (直接経費: 1,100千円、間接経費: 330千円)
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| キーワード | reaction dynamics / mineralization mechanism / mineralization / phospholipids / quantum chemistry / activation energies / reaction mechanism / リン脂質 / 石灰化 / 骨再生 / in vitro実験 / 量子化学計算 |
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| 研究開始時の研究の概要 |
In this research, first the mechanism of mineralization of known (naturally occurring) phospholipids will be investigated in detail through experiments and computational chemistry methods. The origin of differences in mineralization ability of different phospholipids will be identified, and the mineralization mechanism elucidated. Then, novel molecules that can mineralize faster than the phospholipids investigated experimentally will be designed and synthesized. Finally, the mineralization ability of the designed novel molecules will be verified in vitro and in vivo.
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| 研究実績の概要 |
In the 2022 academic year, further experiments and calculations were performed.
The experiments confirmed that different types of phospholipids led to different mineralization efficiencies (mineralization rates), in addition to differences that could be observed visually (degree of transparency of the aqueous solution) through time.
The calculations assumed again that the hydrolysis of a phopholipid molecule was the first step in the mineralization process. The mechanism of hydrolysis agreed with some results published in the literature: a first step consists of the association of one water molecule to the central phosporous atom forming a pentavalent phosphorous, and a second step is the attack of a second water mpolecule to the pentavalent phosphorous, leading to the break of the functional group defining the type of phospholipid (serine or choline) or the glycerol group. Depending on the functional group, it is easier or more difficult to be broken than the glycerol group.
However, the activation energies of hydrolysis of different types of phopholipids differed only slightly when single molecules were considered. When two molecules of the same phospholipid are linked to one calcium ion previously to the hydrolyis reaction, then the activation energies of hydrolysis are reduced, and the reduction amount is different depending on the type of phospholipid. These results indicate that the phospholipids combine rapidly with the calcium ions and then hydrolize more easily.
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| 現在までの達成度 (区分) |
現在までの達成度 (区分)
1: 当初の計画以上に進展している
理由
The calculations of large biomolecules take a long time to complete successfully. The differences in the activation energies of hydrolysis of different molecules were not clear when a single molecule was considered, and this required consideration of multiple molecules, which make an even larger system that requires a much longer calculation time.
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| 今後の研究の推進方策 |
Further experiments and calculations are planned for confirming the evidence obtained from the calculations/experiments performed so far. In order to confirm the differences found when only one molecule is considered and when two molecules are linked to the calcium ion, experiments using very lean solutions will be conducted.
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